8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one

C19H19NO2 — CID 166111500

IUPAC8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc(C(C)N)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C19H19NO2/c1-11-9-15(13(3)20)19-16(10-11)17(21)12(2)18(22-19)14-7-5-4-6-8-14/h4-10,13H,20H2,1-3H3
InChIKeyLTGNXQOBTRSEKM-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.10
Rot. Bonds2

About 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one

8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one (PubChem CID 166111500) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one
PubChem CID166111500
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one
SMILESCc1cc(C(C)N)c2oc(-c3ccccc3)c(C)c(=O)c2c1
InChIInChI=1S/C19H19NO2/c1-11-9-15(13(3)20)19-16(10-11)17(21)12(2)18(22-19)14-7-5-4-6-8-14/h4-10,13H,20H2,1-3H3
InChIKeyLTGNXQOBTRSEKM-UHFFFAOYSA-N
XLogP4.10
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(1R)-1-hydroxyethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 166111304
8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-pyrimidin-5-ylchromen-4-one
CID 169268963
3,6-dimethyl-8-[(1R)-1-(2-methylanilino)ethyl]-2-phenylchromen-4-one
CID 169269773
8-[1-(tert-butylsulfanylamino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 170420560
8-[1-(2-bromoanilino)ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169269250
8-(1-aminoethyl)-3,6-dimethyl-2-(2-methylpyrazol-3-yl)chromen-4-one
CID 174203302
N-[(1R)-1-deuterio-1-(3,6-dimethyl-4-oxo-2-phenylchromen-8-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 170671122
3,6-dimethyl-8-[1-[(3-methyl-1,2-thiazol-5-yl)amino]ethyl]-2-phenylchromen-4-one
CID 174170707
8-(1-aminoethyl)-2-(5-fluoro-2-pyridinyl)-3,6-dimethylchromen-4-one
CID 174202660
8-[1-[(2-fluoro-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 169270678
3,6-dimethyl-2-phenyl-8-propan-2-ylchromen-4-one;3,6-dimethylpyridine-2-carboxylic acid;methane
CID 166111150
8-[(1R)-1-[(2-chloro-6-methyl-3-pyridinyl)amino]ethyl]-3,6-dimethyl-2-phenylchromen-4-one
CID 174170947

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one (CID 166111500) is 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one is Cc1cc(C(C)N)c2oc(-c3ccccc3)c(C)c(=O)c2c1.
What is the InChIKey of 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one?
The InChIKey is LTGNXQOBTRSEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-11-9-15(13(3)20)19-16(10-11)17(21)12(2)18(22-19)14-7-5-4-6-8-14/h4-10,13H,20H2,1-3H3.
What are the key properties of 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one?
8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one has a molecular weight of 293.37 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-3,6-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 166111500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).